Levamlodipine (LEE) is a drug commonly used for antihypertensive treatment in clinical therapy. The overlapping fluorescence spectra of LEE and human serum albumin (HSA) cause some trouble in analysis of interactions between them by using the classic fluorescence method. Here, the multivariate curve resolution-alternating least squares (MCR-ALS) approach was used to overcome this disadvantage. Meanwhile, the binding properties of LEE-HSA complex were then explored through computer modeling. The MCR-ALS results suggested that LEE-HSA complex was present in the mixture solution of LEE and HSA. This conclusion was then confirmed by the Stern-Volmer equation and time-resolved fluorescence experiment. The binding constant (K_a) was 2.139 × 10⁴ L·mol⁻¹ at 298 K. LEE was located close to the Trp-214 residue of HSA, with van der Waals forces and hydrogen bonding as main driving forces for this interaction. LEE can alter the conformation of HSA, in which the content of α-helix reduced from 57.2% to 52.3%. The Pi-Alkyl interactions contributed to maintaining the stability of the LEE-HSA complex. The results of molecular dynamics simulations showed that LEE-HSA complex was formed within 5 ns, and the particle size (R_g) of HSA was altered by the binding reaction. This study would promote better understanding of the transportation and distribution mechanisms of LEE in the human body.

左旋氨氯地平（LEE）是临床治疗中通常用于降压治疗的药物。LEE和人血清白蛋白（HSA）的重叠荧光光谱在使用经典荧光方法分析它们之间的相互作用时造成了一些麻烦。在这里，使用多元曲线分辨率交替最小二乘法（MCR-ALS）来克服此缺点。同时，通过计算机建模探索了LEE-HSA复合物的结合特性。MCR-ALS结果表明，LEE和HSA的混合溶液中存在LEE-HSA复合物。然后通过Stern-Volmer方程和时间分辨荧光实验证实了这一结论。结合常数（K _a）为2.139×10 ⁴  L·mol ^-1在298K。LEE位于HSA的Trp-214残基附近，范德华力和氢键是这种相互作用的主要驱动力。LEE可以改变HSA的构象，其中α-螺旋的含量从57.2％降低到52.3％。Pi-烷基相互作用有助于维持LEE-HSA复合物的稳定性。分子动力学模拟结果表明，LEE-HSA络合物在5 ns内形成，HSA的粒径（R _g）通过结合反应而改变。这项研究将促进对LEE在人体中的运输和分布机制的更好的理解。